SCHEMBL7127620

SCHEMBL7127620

COc1cnc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)s1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
ACACB O00763 1/20 0.36
SLC8A1 P32418 3/20 0.35
MMP2 P08253 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
NAAA Q02083 1/20 0.35
HTR4 Q13639 1/20 0.35
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM5 P41594 1/20 0.34
EZH2 Q15910 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PAK1 Q13153 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7126688 0.92 MMP2 (0.35) POLBMMP2MMP7MMP9MMP13
SCHEMBL7125243 0.88 ALDH1A1 (0.38) POLBACACBSLC8A1MMP2MMP7
SCHEMBL7117176 0.86 SLC8A1 (0.38) ACACBSLC8A1MMP2MMP7MMP9
SCHEMBL7122435 0.86 CHRNA7 (0.36) POLBACACBSLC8A1MMP2MMP7
SCHEMBL7127379 0.85 MMP2 (0.36) MMP2MMP7MMP9MMP13NAAA
SCHEMBL7125215 0.85 MMP2 (0.38) MMP2MMP7MMP9MMP13NAAA
SCHEMBL7120336 0.85 ACACB (0.38) POLBACACBSLC8A1MMP2MMP7
SCHEMBL7122587 0.85 ACACB (0.41) ACACBMMP2MMP7MMP9MMP13
SCHEMBL7231157 0.85 SLC8A1 (0.33) SLC8A1
SCHEMBL7120608 0.84 POLB (0.37) POLBMMP2MMP7MMP9MMP13

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US claimed
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease CYP7B1, UGT2B7, CYP1B1 POLB 767/4885ACACB 1359/4885SLC8A1 1448/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.